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ChemNet file name has changed in FCD version 1.2 #30

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asiraudin opened this issue Sep 27, 2023 · 0 comments
Open

ChemNet file name has changed in FCD version 1.2 #30

asiraudin opened this issue Sep 27, 2023 · 0 comments

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@asiraudin
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Hi,

The ChemNet file name has changed in FCD version 1.2, causing a bug when evaluating this metric in assess_distribution_learning. The new name is 'ChemNet_v0.13_pretrained.pt' (see here).

The bug is simply fixed by downgrading to FCD 1.1. Could you please update the dependencies or change the file name in your code ?

Cheers
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@asiraudin